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PUBCHEM-ZINC02167288

 MMsINC code: MMs02879218
Type: Neutral
Formula: C13H20O
SMILES:   O(Cc1ccccc1)CCCCCC
InChI:   InChI=1/C13H20O/c1-2-3-4-8-11-14-12-13-9-6-5-7-10-13/h5-7,9-10H,2-4,8,11-12H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=24.739 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 192.302 g/mol  logS: -3.57572  SlogP: 4.0499  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0567494  Sterimol/B1: 2.26575  Sterimol/B2: 3.61957  Sterimol/B3: 3.65861
  Sterimol/B4: 4.19535  Sterimol/L: 16.9455 
 
 Surface and Volume Properties
  Accessible surface: 483.503  Positive charged surface: 347.645  Negative charged surface: 135.858  Volume: 226.375
  Hydrophobic surface: 450.049  Hydrophilic surface: 33.454
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.